CID 9964149

6-amino-4-methylnicotinic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=CC(=NC=C1C(=O)O)N
InChI
InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)
InChIKey
FBKFFOOSODQYPO-UHFFFAOYSA-N
Compound name
6-amino-4-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

152.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 129.3
[M+Na]+ 175.04780 138.2
[M-H]- 151.05130 130.6
[M+NH4]+ 170.09240 148.3
[M+K]+ 191.02174 136.3
[M+H-H2O]+ 135.05584 123.4
[M+HCOO]- 197.05678 151.8
[M+CH3COO]- 211.07243 175.9
[M+Na-2H]- 173.03325 134.7
[M]+ 152.05803 127.7
[M]- 152.05913 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe